5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide

C19H22ClNO3 — CID 10689023

IUPAC5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(OC)c(C)c1C
InChIInChI=1S/C19H22ClNO3/c1-12-13(2)17(23-3)7-5-14(12)9-10-21-19(22)16-11-15(20)6-8-18(16)24-4/h5-8,11H,9-10H2,1-4H3,(H,21,22)
InChIKeyIWKGKEFPQMVXFP-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.95
Rot. Bonds6

About 5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide

5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide (PubChem CID 10689023) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide
PubChem CID10689023
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCCc1ccc(OC)c(C)c1C
InChIInChI=1S/C19H22ClNO3/c1-12-13(2)17(23-3)7-5-14(12)9-10-21-19(22)16-11-15(20)6-8-18(16)24-4/h5-8,11H,9-10H2,1-4H3,(H,21,22)
InChIKeyIWKGKEFPQMVXFP-UHFFFAOYSA-N
XLogP3.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide (CID 10689023) is 5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide is COc1ccc(Cl)cc1C(=O)NCCc1ccc(OC)c(C)c1C.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide?
The InChIKey is IWKGKEFPQMVXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-12-13(2)17(23-3)7-5-14(12)9-10-21-19(22)16-11-15(20)6-8-18(16)24-4/h5-8,11H,9-10H2,1-4H3,(H,21,22).
What are the key properties of 5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide?
5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide has a molecular weight of 347.84 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 10689023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).